0 B6R0.4 O=C(O)\C=C\CO 3677 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 O=C(O)\C=N\O 1812 [1,0,0,0,0,0|2,0,1]=4 2 B5R0.2 OCCCCF 1386 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.2 CC[C@@H](C)CC(=O)O 911 [0,1,0,0,0,0|1,0,0]=2 4 B7R0.2 CC[C@H](C)CC(=O)O 916 [0,1,0,0,0,0|1,0,0]=2 5 B7R0.4 COCCCC(=O)O 1781 [0,1,0,0,0,0|1,0,0]=2 6 B6R0.3 CC(CO)C(=O)[O-] 4034 [1,1,0,0,0,0|1,0,1]=4 7 B6R0.3 CC[C@H](O)C(=O)O 3680 [1,1,0,0,0,0|0,0,0]=2 8 B6R0.3 NC(=O)[C@H](N)CS 361 [1,1,0,0,0,0|2,0,0]=4 9 B6R0.3 O=C(O)[C@@H](O)CO 3697 [1,1,0,0,0,0|1,0,0]=3 10 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O 4121 [0,2,0,0,0,0|1,0,0]=3 11 B6R1.2 N=C1CCCS1 2998 [1,0,0,1,0,0|1,1,0]=4